2-(2,6-difluorophenyl)-1,3-oxazole-4,5-diamine

C9H7F2N3O — CID 71050186

IUPAC2-(2,6-difluorophenyl)-1,3-oxazole-4,5-diamine
SMILESNc1nc(-c2c(F)cccc2F)oc1N
InChIInChI=1S/C9H7F2N3O/c10-4-2-1-3-5(11)6(4)9-14-7(12)8(13)15-9/h1-3H,12-13H2
InChIKeyDGMROEIYVMQCFB-UHFFFAOYSA-N
MW211.17 g/mol
LogP1.78
Rot. Bonds1

About 2-(2,6-difluorophenyl)-1,3-oxazole-4,5-diamine

2-(2,6-difluorophenyl)-1,3-oxazole-4,5-diamine (PubChem CID 71050186) has the molecular formula C9H7F2N3O and a molecular weight of 211.17 g/mol. Its IUPAC name is 2-(2,6-difluorophenyl)-1,3-oxazole-4,5-diamine.

Molecular Properties

Compound Name2-(2,6-difluorophenyl)-1,3-oxazole-4,5-diamine
PubChem CID71050186
Molecular FormulaC9H7F2N3O
Molecular Weight211.17 g/mol
Exact Mass211.06
IUPAC Name2-(2,6-difluorophenyl)-1,3-oxazole-4,5-diamine
SMILESNc1nc(-c2c(F)cccc2F)oc1N
InChIInChI=1S/C9H7F2N3O/c10-4-2-1-3-5(11)6(4)9-14-7(12)8(13)15-9/h1-3H,12-13H2
InChIKeyDGMROEIYVMQCFB-UHFFFAOYSA-N
XLogP1.78
TPSA78.07 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.17
LogP ≤ 51.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-(2,6-difluorophenyl)-1,3-oxazole-4,5-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-Amino-2-(2,6-difluorophenyl)oxazole-4-carbonitrile
CID 59587501
N-cyclohexa-1,5-dien-1-yl-2-(2,6-difluorophenyl)-1,3-oxazol-4-amine
CID 67808564
5-Bromo-2-(2,6-difluorophenyl)-1,3-oxazol-4-amine
CID 70891094
N-[4-[[4-amino-2-(2,6-difluorophenyl)-1,3-oxazol-5-yl]amino]phenyl]hydroxylamine
CID 89225182
5-N-(4-aminophenyl)-2-(2,6-difluorophenyl)-1,3-oxazole-4,5-diamine
CID 89225428
2-(2,6-difluorophenyl)-4-N-methyl-1,3-oxazole-4,5-diamine
CID 91461907
2-(2,6-Difluorophenyl)-1,3-oxazol-5-amine
CID 141370493
6-(2-fluoroanilino)-2-(3-fluorophenyl)-4H-[1,3]oxazolo[4,5-b]pyrazin-5-one
CID 146198883
4-Amino-2,5-diphenyloxazole
CID 14269257
4-Hydrazinylidene-2-phenyloxazol-5(4h)-one
CID 136450079
2-(2-fluorophenyl)-N-methyl-1,3-oxazol-4-amine
CID 53249821
2-(3-Fluoro-phenyl)-oxazol-4-YL-methylamine
CID 53407346

Frequently Asked Questions

What is the IUPAC name of 2-(2,6-difluorophenyl)-1,3-oxazole-4,5-diamine?
The IUPAC name of 2-(2,6-difluorophenyl)-1,3-oxazole-4,5-diamine (CID 71050186) is 2-(2,6-difluorophenyl)-1,3-oxazole-4,5-diamine.
What is the SMILES notation for 2-(2,6-difluorophenyl)-1,3-oxazole-4,5-diamine?
The canonical SMILES for 2-(2,6-difluorophenyl)-1,3-oxazole-4,5-diamine is Nc1nc(-c2c(F)cccc2F)oc1N.
What is the InChIKey of 2-(2,6-difluorophenyl)-1,3-oxazole-4,5-diamine?
The InChIKey is DGMROEIYVMQCFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7F2N3O/c10-4-2-1-3-5(11)6(4)9-14-7(12)8(13)15-9/h1-3H,12-13H2.
What are the key properties of 2-(2,6-difluorophenyl)-1,3-oxazole-4,5-diamine?
2-(2,6-difluorophenyl)-1,3-oxazole-4,5-diamine has a molecular weight of 211.17 g/mol, XLogP of 1.78, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-difluorophenyl)-1,3-oxazole-4,5-diamine is sourced from PubChem (CID 71050186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).